logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


OAKWOOD-ZINC04244766

 MMsINC code: MMs02549463
Type: Neutral
Formula: C14H19NO2
SMILES:   OC(=O)C1(Nc2cc(C)c(cc2)C)CCCC1
InChI:   InChI=1/C14H19NO2/c1-10-5-6-12(9-11(10)2)15-14(13(16)17)7-3-4-8-14/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=82.2512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.311 g/mol  logS: -3.08094  SlogP: 3.11274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146911  Sterimol/B1: 3.04436  Sterimol/B2: 3.51402  Sterimol/B3: 4.98721
  Sterimol/B4: 5.06696  Sterimol/L: 12.9067 
 
 Surface and Volume Properties
  Accessible surface: 462.563  Positive charged surface: 302.661  Negative charged surface: 159.903  Volume: 237.375
  Hydrophobic surface: 375.524  Hydrophilic surface: 87.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02549464
OAKWOOD-ZINC04244766